SCHEMBL391684

SCHEMBL391684

Cc1cnc(F)cc1-c1cccc2cc(-c3ccnc(NCCN4CCNC4=O)n3)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.41
RAF1 P04049 9/20 0.40
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
SCN9A Q15858 5/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
SLC8A1 P32418 1/20 0.33
ERN1 O75460 1/20 0.33
ABL1 P00519 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
NTRK2 Q16620 1/20 0.33
HIPK1 Q86Z02 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1338098 0.91 BRAF (0.40) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL392665 0.91 BRAF (0.41) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL392198 0.91 BRAF (0.46) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL387938 0.90 SCN9A (0.38) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL391680 0.89 SCN9A (0.38) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL1338107 0.89 BRAF (0.39) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL393620 0.87 BRAF (0.38) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL1336798 0.86 BRAF (0.38) BRAFRAF1MKNK1FLT3
SCHEMBL393639 0.85 BRAF (0.40) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL392544 0.84 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US claimed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP claimed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US claimed
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US disclosed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US disclosed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US disclosed
WO-2008076704-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT' OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, BUB1B, BUB1 BRAF 1075/4885RAF1 1127/4885IRAK1 3552/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.